N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine

C11H15BrIN3 — CID 102871338

IUPACN-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine
SMILESBrCCCN(c1ncncc1I)C1CCC1
InChIInChI=1S/C11H15BrIN3/c12-5-2-6-16(9-3-1-4-9)11-10(13)7-14-8-15-11/h7-9H,1-6H2
InChIKeyIKMWRLAJEMATKX-UHFFFAOYSA-N
MW396.07 g/mol
LogP3.23
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine

N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine (PubChem CID 102871338) has the molecular formula C11H15BrIN3 and a molecular weight of 396.07 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine
PubChem CID102871338
Molecular FormulaC11H15BrIN3
Molecular Weight396.07 g/mol
Exact Mass394.95
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine
SMILESBrCCCN(c1ncncc1I)C1CCC1
InChIInChI=1S/C11H15BrIN3/c12-5-2-6-16(9-3-1-4-9)11-10(13)7-14-8-15-11/h7-9H,1-6H2
InChIKeyIKMWRLAJEMATKX-UHFFFAOYSA-N
XLogP3.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.07
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-cyclohexyl-5-iodopyrimidin-4-amine
CID 80675574
N'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
CID 102874836
2-[cyclopentyl-(5-iodopyrimidin-4-yl)amino]acetamide
CID 66318147
N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66320184
N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine
CID 66341181
N,N-dicyclohexyl-5-iodopyrimidin-4-amine
CID 66342186
3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 114215177
N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine
CID 66340953
N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102871211
N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66318811
N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide
CID 102922878
5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 66319709

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine (CID 102871338) is N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine is BrCCCN(c1ncncc1I)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine?
The InChIKey is IKMWRLAJEMATKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrIN3/c12-5-2-6-16(9-3-1-4-9)11-10(13)7-14-8-15-11/h7-9H,1-6H2.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine?
N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine has a molecular weight of 396.07 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 102871338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).